MDPI-ZINC04268217 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 76 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -0.6910 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -2.1460 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1280 -2.3940 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -2.6410 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -2.7910 2.1330 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1620 -3.0930 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -3.8280 1.3030 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4630 -4.6810 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -2.9520 0.0920 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2270 -2.7090 -0.7780 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5350 -1.8670 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -3.8340 -1.7290 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8590 -3.2800 -2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -4.3340 -3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -4.8830 -4.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -5.4040 -3.4600 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1140 -4.2810 -2.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5010 -3.4280 -3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 -4.7370 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -3.5030 -0.6970 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9420 -2.7330 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7360 -3.8320 0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9630 -3.7280 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 -3.3740 -1.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1770 -4.0550 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -6.5620 -2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -6.0920 -1.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -5.0360 -1.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9220 -5.4280 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -4.6800 -0.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -5.7250 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -5.9040 -4.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -1.6150 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -0.8080 0.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 -1.5110 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -0.4810 2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2470 -4.2630 2.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -5.3520 2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 -5.9230 2.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2620 -5.8620 3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -3.5980 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -1.9240 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -2.4210 -3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.9460 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -3.8660 -4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -5.1380 -3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -4.0920 -5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -5.6980 -5.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -5.1530 -2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -5.4740 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8620 -4.3540 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8180 -3.1760 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7280 -4.8720 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -6.9640 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -7.3490 -3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -6.5890 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -5.3760 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -6.0070 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -6.7050 -4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 -6.2790 -3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -5.0820 -4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 -0.5140 3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 0.3840 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 -5.2230 3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 -6.8820 3.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -5.8500 4.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 70 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 M END